SCHEMBL6243285

SCHEMBL6243285

CCCCCCCCCCCCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MPO P05164 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ HTR2A P28223 2/20 0.52
▸ HTR1B P28222 2/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR1E P28566 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27798621 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA
SCHEMBL28537587 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA
SCHEMBL1720664 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA
SCHEMBL1720662 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA
SCHEMBL6240398 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA
SCHEMBL6243067 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA
SCHEMBL16278133 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA
SCHEMBL6240394 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA
SCHEMBL12966390 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA
SCHEMBL6244860 1.00 TACR1 (0.61) TACR1KDM4EMAPTMEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113795-B1 TRYPTOPHANYL ESTERS AND THEIR N-ACYL DERIVATIVES FOR THE PREVENTION AND TREATMENT OF DISEASES CAUSED OR EXACERBATED BY OXIDATION PROCESSES MAX PLANCK GESELLSCHAFT (DE) 2005-07-13 — — EP claimed
US-20040176436-A1 Tryptophanyl-esters and their N-acyl derivatives for preventing and treating diseases caused or aggravated by oxidation processes BEHL CHRISTIAN (DE) 2004-09-09 — — US claimed
US-20010014695-A1 Tryptophanyl-esters and their n-acyl derivatives for preventing and treating diseases caused or aggravated by oxidation processes MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2001-08-16 — — US claimed
EP-1113795-A2 TRYPTOPHANYL ESTER AND THEIR N-ACYL DERIVATIVES FOR THE PREVENTION AND TREATMENT OF DISEASES CAUSED OR EXACERBATED BY OXIDATION PROCESSES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2001-07-11 — — EP claimed
WO-2000015206-A2 TRYPTOPHANYL ESTER AND THEIR N-ACYL DERIVATIVES FOR THE PREVENTION AND TREATMENT OF DISEASES CAUSED OR EXACERBATED BY OXIDATION PROCESSES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-03-23 — — WO claimed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 — — EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 — — US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040176436-A1 Tryptophanyl-esters and their N-acyl derivatives for preventing and treating diseases caused or aggravated by oxidation processes AADAT, KYNU, AADAC TACR1 4551/4885KDM4E 2274/4885MAPT 521/4885
US-20010014695-A1 Tryptophanyl-esters and their n-acyl derivatives for preventing and treating diseases caused or aggravated by oxidation processes AADAT, KYNU, AANAT TACR1 4354/4885KDM4E 2637/4885MAPT 409/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback